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CAS Number: 1758-25-4
2-(2,5-dimethoxyphenyl)acetic acid

Structure

2-(2,5-dimethoxyphenyl)acetic acid
Name: 2-(2,5-dimethoxyphenyl)acetic acid
Synonyms:
General Information
Product Number: 1758254

CAS Registry Number 1758-25-4
Name:
Benzeneacetic acid, 2,​5-​dimethoxy-
Acetic acid, (2,5-dimethoxyphenyl)- (6CI,7CI,8CI)
2,5-Dimethoxybenzeneacetic acid
2,5-Dimethoxyphenylacetic acid
2-(2,5-Dimethoxyphenyl)acetic acid

 

Chemical Formula: C10H12O4
Exact Mass: 196.07
Molecular Weight: 196.20
m/z: 196.07 (100.0%), 197.08 (11.1%), 198.08 (1.4%)

 

InChI:InChI=1S/C10H12O4/c1-13-8-3-4-9(14-2)7(5-8)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)

InChI Key:BBZDYQUXRFATHZ-UHFFFAOYSA-N

Canonical SMILES:COC1=CC(=C(C=C1)OC)CC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 125 °C Solv: water (7732-18-5) (7)CAS
Melting Point 124-125 °C   (8)IC
Melting Point 123 °C   (9)CAS
Melting Point 122-123 °C Solv: water (7732-18-5) (10)CAS
Melting Point 122 °C   (11)CAS
Melting Point 121-122 °C Solv: benzene (71-43-2); ligroine (8032-32-4) (12)CAS
Melting Point 121-121.5 °C   (13)CAS
Melting Point 120-123 °C   (14)CAS

Specification

98%

References
  1. (7) Leaf, G.; Biochemical Journal 1948, V43, P606-10 CAPLUS
  2. (8) Kennedy, Michael; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1990, (4), P1041-5 CAPLUS
  3. (9) Bost, R. W.; Journal of the American Chemical Society 1952, V74, P257-8 CAPLUS
  4. (10) Green, Joseph; Journal of the Chemical Society 1959, P3362-73 CAPLUS
  5. (11) Quelet, Raymond; Bulletin de la Societe Chimique de France 1953, (No. 10), PC 46-8 CAPLUS
  6. (12) Kalra, V. K.; Indian Journal of Chemistry 1967, V5(7), P287-90 CAPLUS
  7. (13) McFadden, B. A.; Journal of Organic Chemistry 1960, V25, P274-5 CAPLUS
  8. (14) Fry, Edward M.; Journal of Organic Chemistry 1952, V17, P1484-91 CAPLUS
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